butyryl-CoA

chemical compound

Wikidata entity: Q2929006

C₂₅H₄₂N₇O₁₇P₃S (P274)



Quantities

P2067mass837.157074

P233 canonical SMILES String CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O ???
P703 found in taxon ... Q15978631 (Homo sapiens) Homo sapiens
P703 found in taxon ... Q22287108 (Streptomyces cinnamonensis) Streptomyces cinnamonensis
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P2017 isomeric SMILES String CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O ???
P361 part of ... Q22282066 (butyryl-CoA catabolic process) butyryl-CoA catabolic process
P361 part of ... Q22282779 (butyryl-CoA biosynthetic process) butyryl-CoA biosynthetic process
P361 part of ... Q22282780 (butyryl-CoA biosynthetic process from acetyl-CoA) butyryl-CoA biosynthetic process from acetyl-CoA
P279 subclass of ... Q33616143 (fatty acyl-CoA) fatty acyl-CoA

External Ids
P231CAS Registry Number2140-48-9
P683ChEBI ID15517
P592ChEMBL IDCHEMBL1949894
P661ChemSpider ID388318
P8494DSSTOX compound identifierDTXCID101372312
P3117DSSTox substance IDDTXSID70943955
P646Freebase ID/m/02w95c9
P2057Human Metabolome Database IDHMDB0304279
P234InChIInChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1
P235InChIKeyCRFNGMNYKDXRTN-CITAKDKDSA-N
P665KEGG IDC00136
P2063LIPID MAPS IDLMFA07050292
P6366Microsoft Academic ID (discontinued)2778996255
P3636PDB ligand IDBCO
P662PubChem CID122283
P4964SPLASHsplash10-000i-0000000090-0198fd97a25461db3119
P4964SPLASHsplash10-000i-0000000090-25716f3e3bedaf7ecd94
P4964SPLASHsplash10-000i-0000000090-449edddcd834621967d7
P4964SPLASHsplash10-000i-0000000090-8d2b028aeafe1cbddb7b
P4964SPLASHsplash10-000i-0000000090-988f41ad06052b34fc2c
P4964SPLASHsplash10-000i-0000000090-df720ba7486238a0f856
P4964SPLASHsplash10-001i-0009100000-476900e65eae2602eeaf
P4964SPLASHsplash10-001i-0009100010-ca3eccc1efa496fab066
P4964SPLASHsplash10-001i-0209000000-8d4c103e64fd945eac73
P2877SureChEMBL ID60439
P8121UM-BBD compound IDc0023
P11089UniChem compound ID1102117

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